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3-Octanol, 7-methyl-4,4-bis(phenylthio)-
SpectraBase Compound ID CyFCkZrUvVI
InChI InChI=1S/C21H28OS2/c1-4-20(22)21(16-15-17(2)3,23-18-11-7-5-8-12-18)24-19-13-9-6-10-14-19/h5-14,17,20,22H,4,15-16H2,1-3H3
InChIKey ARIROJSPYIRJTO-UHFFFAOYSA-N
Mol Weight 360.57 g/mol
Molecular Formula C21H28OS2
Exact Mass 360.158158 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 73jdp9BAtrC
Name 3-Octanol, 7-methyl-4,4-bis(phenylthio)-
CAS Registry Number 88065-32-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28OS2
InChI InChI=1S/C21H28OS2/c1-4-20(22)21(16-15-17(2)3,23-18-11-7-5-8-12-18)24-19-13-9-6-10-14-19/h5-14,17,20,22H,4,15-16H2,1-3H3
InChIKey ARIROJSPYIRJTO-UHFFFAOYSA-N
Molecular Weight 360.574 g/mol
SMILES OC(C(Sc1ccccc1)(Sc1ccccc1)CCC(C)C)CC
SPLASH splash10-114i-2950000000-44643098fc4bcf60785a
Source of Spectrum KC-1985-1240-28
Synonyms 7-Methyl-4,4-bis(phenylthio)-3-octanol 7-Methyl-4,4-bis(phenylsulfanyl)octan-3-ol
Wiley ID 1348416